5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

C14H13ClF3N3O2 — CID 71808028

IUPAC5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O2/c1-23-11-3-2-9(15)8-10(11)13(22)19-5-7-21-6-4-12(20-21)14(16,17)18/h2-4,6,8H,5,7H2,1H3,(H,19,22)
InChIKeyZRRCXBXGCQJQLK-UHFFFAOYSA-N
MW347.72 g/mol
LogP2.99
Rot. Bonds5

About 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide

5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (PubChem CID 71808028) has the molecular formula C14H13ClF3N3O2 and a molecular weight of 347.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
PubChem CID71808028
Molecular FormulaC14H13ClF3N3O2
Molecular Weight347.72 g/mol
Exact Mass347.06
IUPAC Name5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H13ClF3N3O2/c1-23-11-3-2-9(15)8-10(11)13(22)19-5-7-21-6-4-12(20-21)14(16,17)18/h2-4,6,8H,5,7H2,1H3,(H,19,22)
InChIKeyZRRCXBXGCQJQLK-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide (CID 71808028) is 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
The InChIKey is ZRRCXBXGCQJQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O2/c1-23-11-3-2-9(15)8-10(11)13(22)19-5-7-21-6-4-12(20-21)14(16,17)18/h2-4,6,8H,5,7H2,1H3,(H,19,22).
What are the key properties of 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide?
5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide has a molecular weight of 347.72 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 71808028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).